2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid

C19H19ClN4O4 — CID 53094502

IUPAC2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1
InChIInChI=1S/C19H19ClN4O4/c1-12(25)23-5-7-24(8-6-23)17-16(19(27)28)10-15(11-21-17)22-18(26)13-3-2-4-14(20)9-13/h2-4,9-11H,5-8H2,1H3,(H,22,26)(H,27,28)
InChIKeyOANIZTCDUKOJSC-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid

2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53094502) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53094502
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1
InChIInChI=1S/C19H19ClN4O4/c1-12(25)23-5-7-24(8-6-23)17-16(19(27)28)10-15(11-21-17)22-18(26)13-3-2-4-14(20)9-13/h2-4,9-11H,5-8H2,1H3,(H,22,26)(H,27,28)
InChIKeyOANIZTCDUKOJSC-UHFFFAOYSA-N
XLogP2.35
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
4-(4-acetylpiperazin-1-yl)-3-[(3-chlorobenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053893
N-[6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42856885
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 83286226
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide
CID 66693391
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 67344796
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid (CID 53094502) is 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid is CC(=O)N1CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is OANIZTCDUKOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-12(25)23-5-7-24(8-6-23)17-16(19(27)28)10-15(11-21-17)22-18(26)13-3-2-4-14(20)9-13/h2-4,9-11H,5-8H2,1H3,(H,22,26)(H,27,28).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 402.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53094502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).